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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Moiréless correlations in ABCA graphene

Atomically thin van der Waals materials stacked with an interlayer twist have proven to be an excellent platform toward achieving gate-tunable correlated phenomena linked to the formation of flat electronic bands. In this work we demonstrate the formation of emergent correlated phases in multilayer rhombohedral graphene––a simple material that also exhibits a flat electronic band edge but without the need of having a moiré superlattice induced by twisted van der Waals layers. We show that two layers of bilayer graphene that are twisted by an arbitrary tiny angle host large (micrometer-scale) regions of uniform rhombohedral four-layer (ABCA) graphene that can be independently studied. Scanning tunneling spectroscopy reveals that ABCA graphene hosts an unprecedentedly sharp van Hove singularity of 3–5-meV half-width. We demonstrate that when this van Hove singularity straddles the Fermi level, a correlated many-body gap emerges with peak-to-peak value of 9.5 meV at charge neutrality. Mean-field theoretical calculations for model with short-ranged interactions indicate that two primary candidates for the appearance of this broken symmetry state are a charge-transfer excitonic insulator and a ferrimagnet. Finally, we show that ABCA graphene hosts surface topological helical edge states at natural interfaces with ABAB graphene which can be turned on and off with gate voltage, implying that small-angle twisted double-bilayer graphene is an ideal programmable topological quantum material.

42 ENGINEERING↗
NASA NTRS2020

Mineralogy of Vera Rubin Ridge in Gale Crater from the Mars Science Laboratory CheMin instrument

Gale crater was selected as the landing site for the Mars Science Laboratory Curiosity rover because of orbital evidence for a variety of secondary minerals in the lower slopes of Aeolis Mons (aka Mount Sharp) that indicate changes in aqueous conditions over time. Distinct units demonstrate orbital spectral signatures of hematite, phyllosilicate (smectite), and sulfate minerals, which suggest that ancient aqueous environments in Gale crater varied in oxidation potential, pH, and water activity. Vera Rubin ridge (VRR) is the first of these units identified from orbit to have been studied by Curiosity. Orbital near-infrared data from VRR show a strong band at 860 nm indicative of hematite. Before Curiosity arrived at VRR, the hypotheses to explain the formation of hematite included (1) precipitation at a redox interface where aqueous Fe2+ was oxidized to Fe3+, and (2) acidic alteration of olivine in oxic fluids. Studying the composition and sedimentology of the rocks on VRR allow us to test and refine these hypotheses and flesh out the depositional and diagenetic history of the ridge. Here, we focus on the mineralogical results of four rock powders drilled from and immediately below VRR as determined by CheMin.

Rampe, E. B.↗
DOE OSTI2025

Off-state magnetoresistance in long-channel germanium Schottky-barrier MOSFETs

An increasing magnetic field perpendicular to an undoped semiconductor surface at low temperature is known to strengthen the binding of localized electrons to stationary ions, as the wavefunction's tails evolve from exponential to Gaussian. It is also known that application of a high bias voltage to a depleted semiconductor can liberate bound charge and induce a large drop in electrical resistance. We connect these established results to experimental electrical transport measurements on off-state germanium Schottky-barrier metal–oxide–semiconductor field-effect transistor (MOSFETs) with an aluminum oxide insulating dielectric and platinum germanide contacts. We make measurements at the three distinct orientations of the magnetic field with respect to the substrate and the current. At 6 K, we observe sharp attenuation of current by more than 2 orders of magnitude, within 60 mT, at a crossover magnetic field perpendicular to the substrate. A 1 T magnetic field attenuates the current by more than 4 orders of magnitude. The strength of the attenuation and the value of the crossover field are controlled by both the gate–source and drain–source voltages. The attenuation is much weaker when the magnetic field is parallel to the current. Finally, we orient the magnetic field parallel to the substrate, but perpendicular to the current, allowing us to distinguish charge hopping at the oxide interface from charge hopping in the bulk. In conclusion, this large off-state magnetoresistance can be exploited for cryogenic magnetic- and photo-detection, and for high-bias, low-leakage MOSFETs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1979

Electromagnetic and electrostatic emissions at the cusp-magnetosphere interface during substorms

Strongly peaked electrostatic emissions near 10.0 kHz and electromagnetic emissions near 0.56 kHz have been observed by the VLF wave detector on board Imp 6 on crossings from the earth's magnetosphere into the polar cusp during the occurrence of large magnetospheric substorms. The electrostatic emissions were observed to be closely confined to the cusp-magnetosphere interface. The electromagnetic emissions were of somewhat broader spatial extent and were seen on higher-latitude field lines within the cusp. Using these plasma wave observations and additional information provided by plasma, magnetometer and particle measurements made simultaneously on Imp 6, theories are constructed to explain each of the two classes of emission. The electromagnetic waves are modeled as whistlers, and the electrostatic waves as electron-cyclotron harmonics. The resulting growth rates predict power spectra similar to those observed for both emission classes. The electrostatic waves may play a significant role via enhanced diffusion in the relaxation of the sharp substorm time cusp-magnetosphere boundary to a more diffuse quiet time boundary.

Curtis, S. A.↗
DOE OSTI2020

Microscale mechanical modeling of deformable geomaterials with dynamic contacts based on the numerical manifold method

Abstract Micromechanical modeling of geomaterials is challenging because of the complex geometry of discontinuities and potentially large number of deformable material bodies that contact each other dynamically. In this study, we have developed a numerical approach for micromechanical analysis of deformable geomaterials with dynamic contacts. In our approach, we detect contacts among multiple blocks with arbitrary shapes, enforce different contact constraints for three different contact states of separated, bonded, and sliding, and iterate within each time step to ensure convergence of contact states. With these features, we are able to simulate the dynamic contact evolution at the microscale for realistic geomaterials having arbitrary shapes of grains and interfaces. We demonstrate the capability with several examples, including a rough fracture with different geometric surface asperity characteristics, settling of clay aggregates, compaction of a loosely packed sand, and failure of an intact marble sample. With our model, we are able to accurately analyze (1) large displacements and/or deformation, (2) the process of high stress accumulated at contact areas, (3) the failure of a mineral cemented rock samples under high stress, and (4) post-failure fragmentation. The analysis highlights the importance of accurately capturing (1) the sequential evolution of geomaterials responding to stress as motion, deformation, and high stress; (2) large geometric features outside the norms (such as large asperities and sharp corners) as such features can dominate the micromechanical behavior; and (3) different mechanical behavior between loosely packed and tightly packed granular systems.

58 GEOSCIENCES↗
DOE OSTI2024

Performance of high-order Godunov-type methods in simulations of astrophysical low Mach number flows

High-order Godunov methods for gas dynamics have become a standard tool for simulating different classes of astrophysical flows. Their accuracy is mostly determined by the spatial interpolant used to reconstruct the pair of Riemann states at cell interfaces and by the Riemann solver that computes the interface fluxes. In most Godunov-type methods, these two steps can be treated independently, so that many different schemes can in principle be built from the same numerical framework. Because astrophysical simulations often test out the limits of what is feasible with the computational resources available, it is essential to find the scheme that produces the numerical solution with the desired accuracy at the lowest computational cost. However, establishing the best combination of numerical options in a Godunov-type method to be used for simulating a complex hydrodynamic problem is a nontrivial task. In fact, formally more accurate schemes do not always outperform simpler and more diffusive methods, especially if sharp gradients are present in the flow. For this work, we used our fully compressible Seven-League Hydro (SLH) code to test the accuracy of six reconstruction methods and three approximate Riemann solvers on two- and three-dimensional (2D and 3D) problems involving subsonic flows only. We considered Mach numbers in the range from 10 −3 to 10 −1 , which are characteristic of many stellar and geophysical flows. In particular, we considered a well-posed, 2D, Kelvin–Helmholtz instability problem and a 3D turbulent convection zone that excites internal gravity waves in an overlying stable layer. Although the different combinations of numerical methods converge to the same solution with increasing grid resolution for most of the quantities analyzed here, we find that (i) there is a spread of almost four orders of magnitude in computational cost per fixed accuracy between the methods tested in this study, with the most performant method being a combination of a low-dissipation Riemann solver and a sextic reconstruction scheme; (ii) the low-dissipation solver always outperforms conventional Riemann solvers on a fixed grid when the reconstruction scheme is kept the same; (iii) in simulations of turbulent flows, increasing the order of spatial reconstruction reduces the characteristic dissipation length scale achieved on a given grid even if the overall scheme is only second order accurate; (iv) reconstruction methods based on slope-limiting techniques tend to generate artificial, high-frequency acoustic waves during the evolution of the flow; and (v) unlimited reconstruction methods introduce oscillations in the thermal stratification near the convective boundary, where the entropy gradient is steep.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2022

Correlated Spatio-temporal Evolution of Extreme-Ultraviolet Ribbons and Hard X-Rays in a Solar Flare

We analyze the structure and evolution of ribbons from the M7.3 SOL2014-04-18T13 flare using ultraviolet images from the Interface Region Imaging Spectrograph and the Solar Dynamics Observatory (SDO)/Atmospheric Imaging Assembly (AIA), magnetic data from the SDO/Helioseismic and Magnetic Imager, hard X-ray (HXR) images from the Reuven Ramaty High Energy Solar Spectroscopic Imager, and light curves from the Fermi/Gamma-ray Burst Monitor, in order to infer properties of coronal magnetic reconnection. As the event progresses, two flare ribbons spread away from the magnetic polarity inversion line. The width of the newly brightened front along the extension of the ribbon is highly intermittent in both space and time, presumably reflecting nonuniformities in the structure and/or dynamics of the flare current sheet. Furthermore, the ribbon width grows most rapidly in regions exhibiting concentrated nonthermal HXR emission, with sharp increases slightly preceding the HXR bursts. The light curve of the ultraviolet emission matches the HXR light curve at photon energies above 25 keV. In other regions the ribbon-width evolution and light curves do not temporally correlate with the HXR emission. This indicates that the production of nonthermal electrons is highly nonuniform within the flare current sheet. Our results suggest a strong connection between the production of nonthermal electrons and the locally enhanced perpendicular extent of flare ribbon fronts, which in turn reflects the inhomogeneous structure and/or reconnection dynamics of the current sheet. Despite this variability, the ribbon fronts remain nearly continuous, quasi-one-dimensional features. Thus, although the reconnecting coronal current sheets are highly structured, they remain quasi-two-dimensional and the magnetic energy release occurs systematically, rather than stochastically, through the volume of the reconnecting magnetic flux.

S. J. Naus↗
DOE OSTI2020

SNL-NJOY-2016

This is a wrapper around the LANL NJOY-2016 code that interfaces with extended code capabilities and minor modification of the LANL NJOY-2016 code that supports modeling radiation damage to materials. The NJOY Nuclear Data Processing System is a modular computer code designed to read evaluated data in ENDF format, transform the data in various ways, and output the results as libraries designed to be used in various applications. The wrapper provided here permits Sandia-specific control parameters to be used in the input data file. The modifications incorporated here enhance the ability of NJOY to address material damage response functions for many materials, e.g. to include the NRT and arc-dpa forms of the damage energy in addition to the default NJOY-2016 implementation of the sharp-threshold Kinchin-Pease threshold energy treatment. All of the modifications provided here are being made available to the GitHub-based NJOY-2016 code. As useful enhancements found here are incorporated into the baseline NJOY-2016 code, they will be eliminated from this version so as to maintain our compatibility with the baseline NJOY-2016 code. SAND2020-13060 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA00035

Griffin, Patrick↗
DOE OSTI2023

Neural Network-Enhanced Reproducing Kernel Particle Method for Image-Based Multiphysics Damage Modeling of Energy Storage Materials

Energy storage materials undergo significant stresses during charge/discharge cycling, which makes understanding their reliability and durability fundamental in predicting performance and service life. Strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking, largely along material interfaces and grain boundaries. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), image-based modeling techniques are used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electrochemical-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in capturing crack propagation due to mesh dependency. Additionally, commonly used damage models, such as the continuous damage model and the cohesive zone model, often have steep tradeoffs between discontinuous field accuracy and computational expense. In this work, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1] is leveraged to accurately capture damage and crack propagation throughout the material by learning the location, orientation, and sharpness of discontinuity while allowing for a coarser nodal distribution than that necessary for capturing sharp solution transitions using traditional mesh-based methods. NN-RKPM is used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022.

damage modeling↗
DOE OSTI2021

Selectivity in Yttrium Manganese Oxide Synthesis via Local Chemical Potentials in Hyperdimensional Phase Space

In sharp contrast to molecular synthesis, materials synthesis is generally presumed to lack selectivity. The few known methods of designing selectivity in solid-state reactions have limited scope, such as topotactic reactions or strain stabilization. This contribution describes a general approach for searching large chemical spaces to identify selective reactions. This novel approach explains the ability of a nominally “innocent” Na 2 CO 3 precursor to enable the metathesis synthesis of single-phase Y 2 Mn 2 O 7 : an outcome that was previously only accomplished at extreme pressures and which cannot be achieved with closely related precursors of Li 2 CO 3 and K 2 CO 3 under identical conditions. By calculating the required change in chemical potential across all possible reactant-product interfaces in an expanded chemical space including Y, Mn, O, alkali metals, and halogens, using thermodynamic parameters obtained from density functional theory calculations, we identify reactions that minimize the thermodynamic competition from intermediates. In this manner, only the Na-based intermediates minimize the distance in the hyperdimensional chemical potential space to Y 2 Mn 2 O 7 , thus providing selective access to a phase which was previously thought to be metastable. Experimental evidence validating this mechanism for pathway-dependent selectivity is provided by intermediates identified from in situ synchrotron-based crystallographic analysis. Finally, this approach of calculating chemical potential distances in hyperdimensional compositional spaces provides a general method for designing selective solid-state syntheses that will be useful for gaining access to metastable phases and for identifying reaction pathways that can reduce the synthesis temperature, and cost, of technological materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

EVA Hazards due to TPS Inspection and Repair

Tile inspection and repair activities have implicit hazards associated with them. When an Extra Vehicular Activities (EVA) crewmember and associated hardware are added into the equation, additional hazards are introduced. Potential hazards to the Extravehicular Mobility Unit (EMU), the Orbiter or the crew member themselves are created. In order to accurately assess the risk of performing a TPS inspection or repair, an accurate evaluation of potential hazards and how adequately these hazards are controlled is essential. The EMU could become damaged due to sharp edges, protrusions, thermal extremes, molten metal or impact with the Orbiter. Tools, tethers and the presence of a crew member in the vicinity of the Orbiter Thermal Protection System (TPS) pose hazards to the Orbiter. Hazards such as additional tile or Reinforced Carbon-Carbon (RCC) damage from a loose tool, safety tethers, crewmember or arm impact are introduced. Additionally, there are hazards to the crew which should be addressed. Crew hazards include laser injury, electrical shock, inability to return to the airlock for EMU failures or Orbiter rapid safing scenarios, as well as the potential inadvertent release of a crew member from the arm/boom. The aforementioned hazards are controlled in various ways. Generally, these controls are addressed operationally versus by design, as the majority of the interfaces are to the Orbiter and the Orbiter design did not originally account for tile repair. The Shuttle Remote Manipulator System (SRMS), for instance, was originally designed to deploy experiments, and therefore has insufficient design controls for retention of the Orbiter Boom Sensor System (OBSS). Although multiple methods to repair the Orbiter TPS exist, the majority of the hazards are applicable no matter which specific repair method is being performed. TPS Inspection performed via EVA also presents some of the same hazards. Therefore, the hazards common to all TPS inspection or repair methods will be addressed.

Stewart, Christine E.↗
NASA NTRS2004

Indentured Parts List Maintenance and Part Assembly Capture Tool - IMPACT

Johnson Space Center's (JSC's) indentured parts list (IPL) maintenance and parts assembly capture tool (IMPACT) is an easy-to-use graphical interface for viewing and maintaining the complex assembly hierarchies of large databases. IMPACT, already in use at JSC to support the International Space Station (ISS), queries, updates, modifies, and views data in IPL and associated resource data, functions that it can also perform, with modification, for any large commercial database. By enabling its users to efficiently view and manipulate IPL hierarchical data, IMPACT performs a function unlike that of any other tool. Through IMPACT, users will achieve results quickly, efficiently, and cost effectively.

Jain, Bobby↗
NASA NTRS2015

Diagenetic Crystal Growth in the Murray Formation, Gale Crater, Mars

The Pahrump region (Gale Crater, Mars) marks a critical transition between sedimentary environments dominated by alluvial-to-fluvial materials associated with the Gale crater rim, and depositional environments fundamentally linked to the crater's central mound, Mount Sharp. At Pahrump, the Murray formation consists of an approximately 14-meter thick succession dominated by massive to finely laminated mudstone with occasional interbeds of cross-bedded sandstone, and is best interpreted as a dominantly lacustrine environment containing tongues of prograding fluvial material. Murray formation mudstones contain abundant evidence for early diagenetic mineral precipitation and its subsequent removal by later diagenetic processes. Lenticular mineral growth is particularly common within lacustrine mudstone deposits at the Pahrump locality. High-resolution MAHLI images taken by the Curiosity rover permit detailed morphological and spatial analysis of these features. Millimeter-scale lenticular features occur in massive to well-laminated mudstone lithologies and are interpreted as pseudomorphs after calcium sulfate. The distribution and orientation of lenticular features suggests deposition at or near the sediment-water (or sediment-air) interface. Retention of chemical signals similar to host rock suggests that original precipitation was likely poikilotopic, incorporating substantial amounts of the primary matrix. Although poikilotopic crystal growth is common in burial environments, it also occurs during early diagenetic crystal growth within unlithified sediment where high rates of crystal growth are common. Loss of original calcium sulfate mineralogy suggests dissolution by mildly acidic, later-diagenetic fluids. As with lenticular voids observed at Meridiani by the Opportunity Rover, these features indicate that calcium sulfate deposition may have been widespread on early Mars; dissolution of depositional and early diagenetic minerals is a likely source for both calcium and sulfate ion-enrichment in burial fluids that precipitated in ubiquitous late-stage hydrofracture veins

Kah, L. C.↗
NASA NTRS1986

The clumpy circumstellar medium around young supernova remnants

Each of the youngest supernova remnants known in the Milky Way, Cas A, Kepler's SNR, and Tycho's SNR, shows a different morphological structure caused by different conditions in the progenitor stars and their surroundings. In all three cases, however, the observed shells have a thickness of about 1/4 the radius, a sharp outer edge, and significant brightness irregularities. These features require that the circumstellar medium be highly clumped. To investigate the phenomenon, models of the expansion have been constructed using a one-dimensional spherical hydrodynamic code. As a supernova shock moves down the external density gradient of the star, material behind the shock begins to go into free expansion. Then as surrounding material is encountered a reverse shock moving back into the ejectum will be formed. Until the expansion has swept up about eight times the ejected mass when the situation can be considered as a point explosion in its surroundings, the dynamics are controlled by conditions between the shocks. The region is also where the synchrotron radio emission from relativistic electrons trapped in magnetic fields arises. Initial particles and fields are accelerated and amplified by eddy motion at the interface between the ejected and swept-up material and at the boundaries of clumps. Polarimetry shows that these SNR have a net radial orientation of their magnetic fields apparently from stretching by Rayleigh-Taylor instabilities at the contact surfaces. Without clumps the observed shell is much too narrow and steep on the inside.

Dickel, J. R.↗
NASA NTRS1975

A Thruster Sub-System Module (TSSM) for solar electric propulsion

Solar Electric Propulsion (SEP) is currently being studied for possible use in a number of near-earth and planetary missions. Thruster systems for these missions could be integrated directly into a spacecraft or modularized into a Thruster Sub-System Module (TSSM). A TSSM for electric propulsion missions would consist of a 30-cm ion thruster, thruster gimbal system, propellant storage and feed system, associated Power Processing Unit (PPU), thermal control system and complete supporting structure. The TSSM would be wholly self-contained and be essentially a plug-in or strap-on electric stage with simple mechanical, thermal, electrical and propellant interfaces. The TSSM described in this report is designed for a broad range of missions requiring from two to ten TSSM's mounted in a 2 by x configuration. The thermal control system is designed to accommodate waste heat from the power processor based on realistic efficiencies when the TSSM is operating from 0.7 to 3.5 AU's. The modules are 0.61 M (2 ft) wide by 2.29 M (7.5 ft) long and have a dry weight including propellant tank of 54.4 kg (120 lb). The propellant tank will hold 145.1 kg (320 lb) of mercury.

Sharp, G. R.↗
DOE OSTI2023

Neural Network Enhanced RKPM for Electrochemical-Mechanical Coupled Damage Modeling of Energy Storage Materials

Energy storage materials undergo significant charge cycling, which makes understanding their reliability and durability fundamental in predicting performance and service life. Strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking, largely along material interfaces and grain boundaries. For Li-ion batteries, for example, lithium moving between electrodes during charging and discharging process causes expansion and contraction of grains, and the strongly anisotropic and nonlinearly [Li]-dependent grain material properties can cause grains to expand into and contract away from each other, leading to chemo-mechanical cracking. In the first part of this work, a RKPM based computational framework for solving the coupled solid-phase lithium conservation with Fickian diffusion and the lithium concentration dependent anisotropic mechanical problem subjected to a highly nonlinear Butler-Volmer boundary condition is introduced. The choice of RKPM completeness conditions for lithium concentration and mechanical deformation fields, and the variational consistency condition for the domain integration of the coupled problem is first determined. In the second part of this work, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1] is leveraged to accurately capture damage and crack propagation throughout the material, by learning the location, orientation, and sharpness of discontinuity while allowing for a coarser nodal distribution than that is necessary for capturing sharp solution transitions using traditional mesh-based methods. NN-RKPM is used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure.

damage modeling↗
DOE OSTI2024

Magnetic excitations in strained infinite-layer nickelate PrNiO 2 films

Strongly correlated materials respond sensitively to external perturbations such as strain, pressure, and doping. In the recently discovered superconducting infinite-layer nickelates, the superconducting transition temperature can be enhanced via only ~ 1% compressive strain-tuning with the root of such enhancement still being elusive. Using resonant inelastic x-ray scattering (RIXS), we investigate the magnetic excitations in infinite-layer PrNiO 2 thin films grown on two different substrates, namely SrTiO 3 (STO) and (LaAlO 3 ) 0.3 (Sr 2 TaAlO 6 ) 0.7 (LSAT) enforcing different strain on the nickelates films. The magnon bandwidth of PrNiO 2 shows only marginal response to strain-tuning, in sharp contrast to the enhancement of the superconducting transition temperature T c in the doped superconducting samples. These results suggest the bandwidth of spin excitations of the parent compounds is similar under strain while T c in the doped ones is not, and thus provide important empirics for the understanding of superconductivity in infinite-layer nickelates.

36 MATERIALS SCIENCE↗